Nb3Al2N
Nb3Al2N is a thermodynamically stable ternary nitride semiconductor used in advanced materials research.
About Nb3Al2N
Nb3Al2N is a thermodynamically stable nitride semiconductor that occupies a unique position within the nitride material class. Its structural integrity on the convex hull makes it a subject of interest for researchers investigating complex ternary nitrides with semiconducting behavior. The compound is characterized by multiple reported structural configurations, reflecting its versatility in solid-state chemistry.
This material is primarily studied for its potential roles in advanced electronic and optoelectronic applications where specific semiconducting characteristics are required. As a stable member of the nitride family, it provides a foundation for exploring new pathways in semiconductor design and material synthesis.
Key Properties
Cross-validated computational properties for Nb3Al2N, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Nb3Al2N, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P4132 (No. 213) | cubic | 0.00 | 0.0000 | -16.900 | 6.53 |
| P4332 (No. 212) | cubic | 0.49 | 3.0899 | -13.810 | 0.27 |
| P4132 (No. 213) | Cubic | — | — | — | 6.49 |
| P4132 (No. 213) | Cubic | — | — | — | 6.62 |
| P4132 (No. 213) | — | — | — | — | — |
| P4132 (No. 213) | Cubic | — | — | — | 6.54 |
Applications
Where Nb3Al2N is used.
Frequently Asked Questions
Common questions about Nb3Al2N, answered from cross-validated data.
What is Nb3Al2N?
Nb3Al2N is a thermodynamically stable ternary nitride semiconductor used in advanced materials research.
What is Nb3Al2N used for?
What is the band gap of Nb3Al2N?
Is Nb3Al2N a metal, semiconductor, or insulator?
Is Nb3Al2N thermodynamically stable?
What is the crystal structure of Nb3Al2N?
What is the density of Nb3Al2N?
How many polymorphs of Nb3Al2N are known?
What elements does Nb3Al2N contain?
Where does the data for Nb3Al2N come from?
How It Compares
Within the nitride semiconductors class.
Unlike the widely utilized binary nitride semiconductors such as GaN, InN, and AlN, which are foundational to modern high-frequency electronics, Nb3Al2N represents a more complex ternary arrangement. While materials like BN or Ga36N36 are often studied for their specific structural geometries or wide-gap properties, Nb3Al2N offers a distinct electronic profile that differentiates it from these simpler binary systems.
Related Compounds
Other Nitride Semiconductors in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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